SCHEMBL2920355

SCHEMBL2920355

CNCCC1CC[N]CCN1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CARM1 Q86X55 3/20 0.35
PRMT6 Q96LA8 3/20 0.35
PRMT8 Q9NR22 2/20 0.35
PRMT1 Q99873 1/20 0.35
CYP1A2 P05177 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2913959 0.84 CARM1 (0.32) ALDH1A1CARM1PRMT6PRMT8PRMT1
SCHEMBL2921796 0.81
SCHEMBL2919109 0.78 CYP1A2 (0.35) CYP1A2
SCHEMBL2915625 0.78 CYP1A2 (0.35) CYP1A2
SCHEMBL1488144 0.77 ALDH1A1 (0.56) ALDH1A1CARM1PRMT6PRMT8PRMT1
SCHEMBL13202528 0.77 ALDH1A1 (0.56) ALDH1A1CARM1PRMT6PRMT8PRMT1
SCHEMBL13202524 0.77 ALDH1A1 (0.56) ALDH1A1CARM1PRMT6PRMT8PRMT1
SCHEMBL4482105 0.76 CYP1A2 (0.34) CYP1A2
SCHEMBL2917549 0.76 CYP1A2 (0.34) ALDH1A1CYP1A2
SCHEMBL10512415 0.76 CYP1A2 (0.58) ALDH1A1CARM1PRMT6PRMT8PRMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R ALDH1A1 185/4885CARM1 1940/4885PRMT6 3126/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885CARM1 2231/4885PRMT6 3155/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 ALDH1A1 139/4885CARM1 4606/4885PRMT6 4603/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 ALDH1A1 248/4885CARM1 79/4885PRMT6 679/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 ALDH1A1 251/4885CARM1 4632/4885PRMT6 4661/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.